4-(4-ethylpiperazin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)benzamide

C19H31N3O2 — CID 110002142

IUPAC4-(4-ethylpiperazin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
SMILESCCN1CCN(c2ccc(C(=O)NC(C)(CC)CCO)cc2)CC1
InChIInChI=1S/C19H31N3O2/c1-4-19(3,10-15-23)20-18(24)16-6-8-17(9-7-16)22-13-11-21(5-2)12-14-22/h6-9,23H,4-5,10-15H2,1-3H3,(H,20,24)
InChIKeyZAZCNTNUYIKIAC-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.11
Rot. Bonds7

About 4-(4-ethylpiperazin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)benzamide

4-(4-ethylpiperazin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)benzamide (PubChem CID 110002142) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
PubChem CID110002142
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name4-(4-ethylpiperazin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
SMILESCCN1CCN(c2ccc(C(=O)NC(C)(CC)CCO)cc2)CC1
InChIInChI=1S/C19H31N3O2/c1-4-19(3,10-15-23)20-18(24)16-6-8-17(9-7-16)22-13-11-21(5-2)12-14-22/h6-9,23H,4-5,10-15H2,1-3H3,(H,20,24)
InChIKeyZAZCNTNUYIKIAC-UHFFFAOYSA-N
XLogP2.11
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)-4-(tetrazol-1-yl)benzamide
CID 103945863
N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide
CID 110002138
4-(4-ethylpiperazin-1-yl)-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111477879
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide
CID 75498992
4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164060
N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide
CID 97340429
N-(1-hydroxy-3-methylpentan-3-yl)-3-sulfanylbenzamide
CID 114153832
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 42239391
2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]benzoic acid
CID 106167893
4-N-[1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-yl]benzene-1,4-dicarboxamide
CID 122152201

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)benzamide (CID 110002142) is 4-(4-ethylpiperazin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)benzamide.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)benzamide is CCN1CCN(c2ccc(C(=O)NC(C)(CC)CCO)cc2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The InChIKey is ZAZCNTNUYIKIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-4-19(3,10-15-23)20-18(24)16-6-8-17(9-7-16)22-13-11-21(5-2)12-14-22/h6-9,23H,4-5,10-15H2,1-3H3,(H,20,24).
What are the key properties of 4-(4-ethylpiperazin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
4-(4-ethylpiperazin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)benzamide has a molecular weight of 333.48 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)benzamide is sourced from PubChem (CID 110002142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).